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    Frunexian

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    2D Structure
    Also known as: Ep-7041, 1803270-60-1, Bke5cvp3fs, (2s,3r)-3-((2-aminopyridin-4-yl)methyl)-1-(((1r)-1-cyclohexylethyl)carbamoyl)-4-oxoazetidine-2-carboxylic acid, (2s,3r)-3-[(2-aminopyridin-4-yl)methyl]-1-[[(1r)-1-cyclohexylethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid, (2s,3r)-3-[(2-aminopyridin-4-yl)methyl]-1-{[(1r)-1-cyclohexylethyl]carbamoyl}-4-oxoazetidine-2-carboxylic acid
    Molecular Formula
    C19H26N4O4
    Molecular Weight
    374.4  g/mol
    InChI Key
    NYPSZHLKEMYZKK-XFJVYGCCSA-N
    FDA UNII
    BKE5CVP3FS
    FRUNEXIAN is a small molecule drug with a maximum clinical trial phase of II (across all indications) and has 1 investigational indication.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1R)-1-cyclohexylethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid
    2.1.2 InChI
    InChI=1S/C19H26N4O4/c1-11(13-5-3-2-4-6-13)22-19(27)23-16(18(25)26)14(17(23)24)9-12-7-8-21-15(20)10-12/h7-8,10-11,13-14,16H,2-6,9H2,1H3,(H2,20,21)(H,22,27)(H,25,26)/t11-,14-,16+/m1/s1
    2.1.3 InChI Key
    NYPSZHLKEMYZKK-XFJVYGCCSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    BKE5CVP3FS
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Ep-7041

    2.3.2 Depositor-Supplied Synonyms

    1. Ep-7041

    2. 1803270-60-1

    3. Bke5cvp3fs

    4. (2s,3r)-3-((2-aminopyridin-4-yl)methyl)-1-(((1r)-1-cyclohexylethyl)carbamoyl)-4-oxoazetidine-2-carboxylic Acid

    5. (2s,3r)-3-[(2-aminopyridin-4-yl)methyl]-1-[[(1r)-1-cyclohexylethyl]carbamoyl]-4-oxoazetidine-2-carboxylic Acid

    6. (2s,3r)-3-[(2-aminopyridin-4-yl)methyl]-1-{[(1r)-1-cyclohexylethyl]carbamoyl}-4-oxoazetidine-2-carboxylic Acid

    7. Refchem:137078

    8. Frunexian (usan)

    9. Frunexian [usan]

    10. Frunexian [inn]

    11. Orb2277627

    12. Chembl5314583

    13. Schembl16997955

    14. Gtpl11990

    15. Ep 7041 [who-dd]

    16. Bdbm50621716

    17. Ep7041

    18. Da-73563

    19. Hy-156613

    20. Cs-0886205

    21. D12563

    22. 2-azetidinecarboxylic Acid, 3-[(2-amino-4-pyridinyl)methyl]-1-[[[(1r)-1-cyclohexylethyl]amino]carbonyl]-4-oxo-, (2s,3r)-

    2.4 Create Date
    2016-02-23
    3 Chemical and Physical Properties
    Molecular Weight 374.4 g/mol
    Molecular Formula C19H26N4O4
    XLogP32.6
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count5
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area126
    Heavy Atom Count27
    Formal Charge0
    Complexity578
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1